3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide

C22H23FN2O5S2 — CID 41321896

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C22H23FN2O5S2/c23-19-4-2-1-3-18(19)20-8-5-16(30-20)6-9-21(26)24-15-17-7-10-22(31-17)32(27,28)25-11-13-29-14-12-25/h1-5,7-8,10H,6,9,11-15H2,(H,24,26)
InChIKeyGPHLFSKINPFVCB-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.42
Rot. Bonds8

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide (PubChem CID 41321896) has the molecular formula C22H23FN2O5S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
PubChem CID41321896
Molecular FormulaC22H23FN2O5S2
Molecular Weight478.57 g/mol
Exact Mass478.10
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C22H23FN2O5S2/c23-19-4-2-1-3-18(19)20-8-5-16(30-20)6-9-21(26)24-15-17-7-10-22(31-17)32(27,28)25-11-13-29-14-12-25/h1-5,7-8,10H,6,9,11-15H2,(H,24,26)
InChIKeyGPHLFSKINPFVCB-UHFFFAOYSA-N
XLogP3.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
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N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
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3-[5-(2-fluorophenyl)furan-2-yl]-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
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N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide (CID 41321896) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
The InChIKey is GPHLFSKINPFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S2/c23-19-4-2-1-3-18(19)20-8-5-16(30-20)6-9-21(26)24-15-17-7-10-22(31-17)32(27,28)25-11-13-29-14-12-25/h1-5,7-8,10H,6,9,11-15H2,(H,24,26).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide has a molecular weight of 478.57 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 41321896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).